182
5 Complex Reactive Applications: A Forward Look to Open Science
science RI sees also the involvement of the European Chemistry Thematic Network
(ECTN), of the EUCHEMS (Association for Chemical and Molecular Sciences)
through its Computational Chemistry division, of the European Joint Doctorate in
Theoretical Chemistry Modelling and Computational (TCCM) ITN-EJD-642294
in particular for the generic community members activities and for training and
educational aspects as well.
Accordingly, the main target of the project is a significant evolution of the collaborative use of molecular science computational and experimental techniques enabling
an accurate determination of intra- and intermolecular interactions and the development of rationales for driving molecular processes to produce innovation. The
latter objective leverages on the measurement and calculation of detailed structural
and dynamical properties of elementary chemical processes occurring in gas and in
condensed phase. It provides the knowledge necessary for grounding further studies
on the evolution in time of interleaved elementary processes in kinetics, as well as
their combination with statistical, fluid dynamics and/or condensed phase treatments
allowing the accurate modeling of important phenomena and to the development of
innovative technological solutions to important societal challenges, such as climate
change, green energy, food security.
Direct support to the project is given by the following large European laboratories:
• ELETTRA-SINCROTRONE Trieste specialized in generating synchrotron (Elettra) and free-electron laser (FERMI) radiation enabling the characterization of
material properties and functions;
• LENS specialized in providing short-pulse laser sources as experimental facilities
for spectroscopic and nonlinear optics research;
• FLASH Free-Electron LASer set for VUV and soft X-ray radiation operated in
the “self-amplified spontaneous emission” (SASE) mode;
• PETRA accelerator based on an X-ray source to run pump-probe X-ray absorption
experiments with high photon flux;
• BEAMLAB coordinated set of crossed molecular beam and beam gas apparatuses
laboratory allowing generation and velocity selection of reactant beams;
• BEYOND-NANO laser-induced plasma and phenomena under nonequilibrium
conditions reactor;
• CLUR cluster of high power pulsed lasers in combination with multiphoton ionization laser spectroscopy and time-of-flight mass spectrometry; and
• CNRS and CNR advanced French and Italian research facilities on plasmas, combustion, and renewable energies exploitation.
Specific activities for the dissemination and exploitation of produced results are
carried out jointly with the already mentioned thematic associations and associated
SMEs. In particular, the transnational DRAG [129] cluster is supporting e-learning
activities and Master-UP (http://www.master-up.it/) is supporting innovation technology transfer [130] (see also later in this section) with the commitment of achieving
societal impact and sustainability. Moreover, the requirements issued by the project
5 Complex Reactive Applications: A Forward Look to Open Science
science RI sees also the involvement of the European Chemistry Thematic Network
(ECTN), of the EUCHEMS (Association for Chemical and Molecular Sciences)
through its Computational Chemistry division, of the European Joint Doctorate in
Theoretical Chemistry Modelling and Computational (TCCM) ITN-EJD-642294
in particular for the generic community members activities and for training and
educational aspects as well.
Accordingly, the main target of the project is a significant evolution of the collaborative use of molecular science computational and experimental techniques enabling
an accurate determination of intra- and intermolecular interactions and the development of rationales for driving molecular processes to produce innovation. The
latter objective leverages on the measurement and calculation of detailed structural
and dynamical properties of elementary chemical processes occurring in gas and in
condensed phase. It provides the knowledge necessary for grounding further studies
on the evolution in time of interleaved elementary processes in kinetics, as well as
their combination with statistical, fluid dynamics and/or condensed phase treatments
allowing the accurate modeling of important phenomena and to the development of
innovative technological solutions to important societal challenges, such as climate
change, green energy, food security.
Direct support to the project is given by the following large European laboratories:
• ELETTRA-SINCROTRONE Trieste specialized in generating synchrotron (Elettra) and free-electron laser (FERMI) radiation enabling the characterization of
material properties and functions;
• LENS specialized in providing short-pulse laser sources as experimental facilities
for spectroscopic and nonlinear optics research;
• FLASH Free-Electron LASer set for VUV and soft X-ray radiation operated in
the “self-amplified spontaneous emission” (SASE) mode;
• PETRA accelerator based on an X-ray source to run pump-probe X-ray absorption
experiments with high photon flux;
• BEAMLAB coordinated set of crossed molecular beam and beam gas apparatuses
laboratory allowing generation and velocity selection of reactant beams;
• BEYOND-NANO laser-induced plasma and phenomena under nonequilibrium
conditions reactor;
• CLUR cluster of high power pulsed lasers in combination with multiphoton ionization laser spectroscopy and time-of-flight mass spectrometry; and
• CNRS and CNR advanced French and Italian research facilities on plasmas, combustion, and renewable energies exploitation.
Specific activities for the dissemination and exploitation of produced results are
carried out jointly with the already mentioned thematic associations and associated
SMEs. In particular, the transnational DRAG [129] cluster is supporting e-learning
activities and Master-UP (http://www.master-up.it/) is supporting innovation technology transfer [130] (see also later in this section) with the commitment of achieving
societal impact and sustainability. Moreover, the requirements issued by the project